SCHEMBL4081035

SCHEMBL4081035

O=C(O)COc1cccc(CN2C(=O)CCCN2CCC(O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.62
PTGER2 P43116 12/20 0.62
PTGER3 P43115 1/20 0.45
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4086055 0.91 PTGER4 (0.57) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4077758 0.88 PTGER4 (0.64) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4082505 0.86 PTGER4 (0.64) PTGER4PTGER2PTGER3
SCHEMBL4077394 0.86 PTGER4 (0.66) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4087462 0.84 PTGER4 (0.69) PTGER4PTGER2PTGER3
SCHEMBL4087631 0.84 PTGER4 (0.69) PTGER4PTGER2PTGER3KMT2AKDM4E
SCHEMBL4087547 0.83 PTGER4 (0.58) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4087561 0.83 PTGER4 (0.60) PTGER4PTGER2PTGER3KMT2AMEN1
SCHEMBL4080468 0.81 PTGER4 (0.60) PTGER4PTGER2PTGER3KMT2ALMNA
SCHEMBL4080274 0.81 PTGER4 (0.72) PTGER4PTGER2PTGER3NR4A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER4 33/4885PTGER2 39/4885PTGER3 60/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.